Entry |
|
Name |
Tomivosertib hydrochloride (USAN) |
Formula |
C17H20N6O2. HCl
|
Exact mass |
376.1415
|
Mol weight |
376.84
|
Structure |

|
Simcomp |
|
Remark |
|
Efficacy |
Antineoplastic, MAP kinase interacting serine/threonine kinase inhibitor |
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CAMK group
MKNK
D11481 Tomivosertib hydrochloride (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 26
1 N5x N 14.0446 -15.0228
2 C8y C 14.0446 -16.4203
3 C8x C 15.3023 -17.1190
4 C8y C 16.4902 -16.4203
5 N5x N 16.4902 -15.0228
6 C8x C 15.3023 -14.3241
7 N1a N 12.8568 -17.1190
8 N1b N 17.7479 -17.1190
9 C8y C 18.9357 -16.4203
10 C8y C 20.1236 -17.1190
11 N4y N 21.3114 -16.4203
12 C8y C 21.3114 -15.0228
13 C8y C 20.1236 -14.3241
14 C8x C 18.9357 -15.0228
15 C1z C 22.6390 -16.8395
16 N1x N 23.4775 -15.7216
17 C5x C 22.6390 -14.5337
18 C1x C 21.7307 -17.8178
19 C1x C 22.1499 -19.2152
20 C1x C 23.5474 -19.4947
21 C1x C 24.4557 -18.4466
22 C1x C 24.0365 -17.1190
23 O5x O 23.0582 -13.2061
24 O5x O 20.1236 -18.5165
25 C1a C 20.1236 -12.9266
26 X Cl 26.5300 -16.8000
BOND 28
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 2 7 1
8 4 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 2
14 13 14 1
15 9 14 2
16 11 15 1
17 15 16 1
18 16 17 1
19 12 17 1
20 15 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 15 22 1
26 17 23 2
27 10 24 2
28 13 25 1
|